4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine

C9H8ClF5N2O — CID 80663312

IUPAC4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H8ClF5N2O/c1-5-2-6(10)17-7(16-5)3-18-4-8(11,12)9(13,14)15/h2H,3-4H2,1H3
InChIKeyOSKMXMPNPXEQJH-UHFFFAOYSA-N
MW290.62 g/mol
LogP3.15
Rot. Bonds4

About 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine

4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine (PubChem CID 80663312) has the molecular formula C9H8ClF5N2O and a molecular weight of 290.62 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine
PubChem CID80663312
Molecular FormulaC9H8ClF5N2O
Molecular Weight290.62 g/mol
Exact Mass290.02
IUPAC Name4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H8ClF5N2O/c1-5-2-6(10)17-7(16-5)3-18-4-8(11,12)9(13,14)15/h2H,3-4H2,1H3
InChIKeyOSKMXMPNPXEQJH-UHFFFAOYSA-N
XLogP3.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.62
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine (CID 80663312) is 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine is Cc1cc(Cl)nc(COCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine?
The InChIKey is OSKMXMPNPXEQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF5N2O/c1-5-2-6(10)17-7(16-5)3-18-4-8(11,12)9(13,14)15/h2H,3-4H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine?
4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine has a molecular weight of 290.62 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 80663312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).